SCHEMBL16758194

SCHEMBL16758194

COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NC(CC(=O)NCC(=O)O)c1nnc(C)n1-2

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 20/20 0.85
BRD2 P25440 2/20 0.85
SMCHD1 A6NHR9 1/20 0.85
MYO1G B0I1T2 1/20 0.85
AIP O00170 1/20 0.85
AP3B1 O00203 1/20 0.85
PSMD11 O00231 1/20 0.85
CDC7 O00311 1/20 0.85
SAP18 O00422 1/20 0.85
KPNA3 O00505 1/20 0.85
PPP6C O00743 1/20 0.85
TCERG1 O14776 1/20 0.85
UBE2L6 O14933 1/20 0.85
PPP1R12A O14974 1/20 0.85
U2SURP O15042 1/20 0.85
SETD1A O15047 1/20 0.85
ARPC1B O15143 1/20 0.85
POLR1C O15160 1/20 0.85
OGT O15294 1/20 0.85
PPM1G O15355 1/20 0.85

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15969471 1.00 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756409 0.93 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15969460 0.93 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756293 0.93 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL14756327 0.93 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL15970073 0.93 BRD4 (0.83) BRD4BRD2SMCHD1MYO1GAIP
SCHEMBL25215661 0.92 BRD4 (0.85) BRD4BRD2SMCHD1MYO1GAIP
Molibresib SCHEMBL19459525 0.92 BRD4 (0.97) BRD4BRD2SMCHD1MYO1GAIP
Molibresib SCHEMBL1872390 0.92 BRD4 (1.00) BRD4BRD2SMCHD1MYO1GAIP
Molibresib SCHEMBL29359178 0.92 BRD4 (1.00) BRD4BRD2SMCHD1MYO1GAIP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015081280-A1 BROMODOMAIN LIGANDS CAPABLE OF DIMERIZING IN AN AQUEOUS SOLUTION COFERON, INC. (US) 2015-06-04 WO disclosed